CID 66050421

1-(bromomethyl)-1-ethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCC1(CCCCC1)CBr
InChI
InChI=1S/C9H17Br/c1-2-9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKey
AVSQBPUGRVOQMJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 140.8
[M+Na]+ 227.04058 149.5
[M-H]- 203.04408 146.3
[M+NH4]+ 222.08518 165.2
[M+K]+ 243.01452 139.5
[M+H-H2O]+ 187.04862 142.2
[M+HCOO]- 249.04956 158.8
[M+CH3COO]- 263.06521 182.8
[M+Na-2H]- 225.02603 148.0
[M]+ 204.05081 155.7
[M]- 204.05191 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe